Editor-in-Chief: Stefan Hildebrandt
Editorial Notice
physica status solidi (c) – current topics in solid state physics has ceased publication at the end of 2017.
New manuscript submissions should be made to pss (a), pss (b) or pss (RRL).
Conference/symposium organizers, coordinators of research consortia or interested guest editors are invited to contact [email protected] for possible special issue collaboration.
Articles
Revisiting Stabilities of Cubic Zincblende IV‐IV Materials From Density Functional Theory
- 28 December 2017
Graphical Abstract
The electronic structure of cubic zincblende (ZB) IV-IV compounds are treated traditionally through first-principles models neglecting relativistic effects, regardless the presence of heavier atoms like Ge, Sn, or Pb. Applying relativistic first-principles plane wave pseudopotential methods, we revisit here the thermodynamic and dynamical stability of ZB-IV-IV materials: SiC, GeC, SnC, PbC, SiGe, SiSn, SiPb, GeSn, PbGe, and PbSn. Our results evince that except 3C-SiC, all other IV-IV compounds in the ZB phase exhibit positive formation enthalpy, thus manifesting thermodynamic instability. PbC, and SnC divulge huge thermodynamic instability, due to the high value of their elastic strain formation energy; whereas SiGe, GeSn, and PbSn show weak thermodynamic instability due to their insufficient chemical formation energy. Furthermore, except 3C-SiC, we found that all other ZB-IV-IV compounds are dynamically unstable.
Proceedings of the 2017 E-MRS Spring Meeting Symposium P Silicon & Silicon Nanostructures: From Recent Fundamental Research to Novel Applications
- 14 December 2017
Proceedings of the 2017 E‐MRS Spring Meeting Symposium S ALTECH 2017 – Analytical techniques for precise characterization of nanomaterials
- 14 December 2017
Tuning the Work Function of Si(100) Surface by Halogen Absorption: A DFT Study
- 12 December 2017
Graphical Abstract
A Si(100) surface supercell passivated by H and F atoms. Light blue spheres represent Si atoms, grey spheres H atoms and green spheres F atoms.
